2-苯氨基-6-氯苯甲酸
TL;DR: 2-苯氨基-6-氯苯甲酸 (CAS 70324-42-4) is a chemical compound with molecular formula C13H10ClNO2 and molecular weight 247.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苯氨基-6-氯苯甲酸
2-anilino-6-chlorobenzoic acid
Also Known As: 2-anilino-6-chlorobenzoic acid, 2-chloro-6-(phenylamino)benzoic acid, Benzoic acid,2-chloro-6-(phenylamino)-
| Molecular Formula | C13H10ClNO2 |
|---|---|
| Molecular Weight | 247.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.04001 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 70324-42-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C(=CC=C2)Cl)C(=O)O |
| InChIKey | MEDRWZCKMUMLNE-UHFFFAOYSA-N |
Product Overview
2-苯氨基-6-氯苯甲酸 (CAS 70324-42-4), with molecular formula C13H10ClNO2 and molecular weight 247.04 g/mol. IUPAC: 2-anilino-6-chlorobenzoic acid.
Chemical Property Profile of 2-苯氨基-6-氯苯甲酸
Property Insights of 2-苯氨基-6-氯苯甲酸
The XLogP value of 4.2 indicates that 2-苯氨基-6-氯苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, 2-苯氨基-6-氯苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-苯氨基-6-氯苯甲酸 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-苯氨基-6-氯苯甲酸?
The CAS number of 2-苯氨基-6-氯苯甲酸 is 70324-42-4.
What is the molecular formula of 2-苯氨基-6-氯苯甲酸?
The molecular formula of 2-苯氨基-6-氯苯甲酸 is C13H10ClNO2.
What is the molecular weight of 2-苯氨基-6-氯苯甲酸?
The molecular weight of 2-苯氨基-6-氯苯甲酸 is 247.04 g/mol.
Where can I buy 2-苯氨基-6-氯苯甲酸?
You can request a quote for 2-苯氨基-6-氯苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-苯氨基-6-氯苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-苯氨基-6-氯苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.